Compound Detail
CHEMBL36654
ROEMERINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL36654 |
| Name | ROEMERINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCTYWRARKVGOBK-UHFFFAOYSA-N |
9
Targets
16
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.17
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.78
EC50 5 meas. best 7.1
Ki 4 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 7.1 | 7.1 | 79.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.08 | 7.08 | 83.2 | 2 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.03 | 6.99 | 93.1 | 2 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.49 | 6.455 | 324.3 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.78 | 5.575 | 1660.0 | 4 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.77 | 4.77 | 16837.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.67 | 4.67 | 21456.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 23886690 | 10.1016/j.bmcl.2013.06.078 | D(2) dopamine receptor | 2 |
| 23886690 | 10.1016/j.bmcl.2013.06.078 | D(1A) dopamine receptor | 2 |
| - | 10.1016/0960-894X(95)00250-W | Protein tyrosine phosphatase receptor type C-associated protein | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 23886690 | 10.1016/j.bmcl.2013.06.078 | Unchecked | 1 |
| 30243157 | 10.1016/j.ejmech.2018.08.093 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine